N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide

C14H22N2O2 — CID 63755309

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
SMILESCCOc1ccc(NC(=O)C(C)CC)cc1CN
InChIInChI=1S/C14H22N2O2/c1-4-10(3)14(17)16-12-6-7-13(18-5-2)11(8-12)9-15/h6-8,10H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyBZULIQATLGKFTP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.53
Rot. Bonds6

About N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide

N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide (PubChem CID 63755309) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
PubChem CID63755309
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
SMILESCCOc1ccc(NC(=O)C(C)CC)cc1CN
InChIInChI=1S/C14H22N2O2/c1-4-10(3)14(17)16-12-6-7-13(18-5-2)11(8-12)9-15/h6-8,10H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyBZULIQATLGKFTP-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
tert-butyl N-[3-(aminomethyl)-4-ethoxyphenyl]carbamate
CID 63755474
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468
N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853227
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
2-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 54880127
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide (CID 63755309) is N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide is CCOc1ccc(NC(=O)C(C)CC)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide?
The InChIKey is BZULIQATLGKFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(3)14(17)16-12-6-7-13(18-5-2)11(8-12)9-15/h6-8,10H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide?
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide is sourced from PubChem (CID 63755309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).